- InChI
- InChI=1S/C22H34O4/c1-6-7-8-9-10-11-15-25-20(23)18-13-12-14-19(16-18)21(24)26-17(2)22(3,4)5/h12-14,16-17H,6-11,15H2,1-5H3
- InChI Key
- YJARIDDSUMRXMR-UHFFFAOYSA-N
- Formula
- C22H34O4
- SMILES
-
CCCCCCCCOC(=O)c1cccc(C(=O)OC(C
)C(C)(C)C)c1 - Molecular Weight1
- 362.50
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfG° | -230.30 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -775.98 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 41.02 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.13 | kJ/mol | Joback Calculated Property |
| log10WS | -6.85 | Crippen Calculated Property | |
| logPoct/wat | 5.795 | Crippen Calculated Property | |
| McVol | 311.960 | ml/mol | McGowan Calculated Property |
| Pc | 1193.17 | kPa | Joback Calculated Property |
| Inp | [2490.00; 2490.00] |
|
|
| Inp | 2490.00 | NIST | |
| Inp | 2490.00 | NIST | |
| Tboil | 883.33 | K | Joback Calculated Property |
| Tc | 1091.23 | K | Joback Calculated Property |
| Tfus | 508.38 | K | Joback Calculated Property |
| Vc | 1.190 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [998.32; 1081.10] | J/mol×K | [883.33; 1091.23] |
|
| Cp,gas | 998.32 | J/mol×K | 883.33 | Joback Calculated Property |
| Cp,gas | 1015.05 | J/mol×K | 917.98 | Joback Calculated Property |
| Cp,gas | 1030.54 | J/mol×K | 952.63 | Joback Calculated Property |
| Cp,gas | 1044.85 | J/mol×K | 987.28 | Joback Calculated Property |
| Cp,gas | 1058.01 | J/mol×K | 1021.93 | Joback Calculated Property |
| Cp,gas | 1070.07 | J/mol×K | 1056.58 | Joback Calculated Property |
| Cp,gas | 1081.10 | J/mol×K | 1091.23 | Joback Calculated Property |
| η | [0.0000294; 0.0004944] | Pa×s | [508.38; 883.33] |
|
| η | 0.0004944 | Pa×s | 508.38 | Joback Calculated Property |
| η | 0.0002388 | Pa×s | 570.87 | Joback Calculated Property |
| η | 0.0001332 | Pa×s | 633.36 | Joback Calculated Property |
| η | 0.0000825 | Pa×s | 695.86 | Joback Calculated Property |
| η | 0.0000553 | Pa×s | 758.35 | Joback Calculated Property |
| η | 0.0000394 | Pa×s | 820.84 | Joback Calculated Property |
| η | 0.0000294 | Pa×s | 883.33 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, 3,3-dimethylbut-2-yl octyl ester.
Sources
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